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Compound InformationSONAR Target prediction
Name:

Etilefrine hydrochloride

Unique Identifier:Prest1218
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C10ClH16NO2
Molecular Weight:201.565 g/mol
X log p:7.903  (online calculus)
Lipinksi Failures1
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:4
Canonical Smiles:Cl.CCNCC(O)c1cccc(O)c1

Found: 1 active | as graph: single | with analogs
Species: 9606
Condition: TMPPre003
Replicates: 2
Raw OD Value: r im 10174.0000±0
Normalized OD Score: sc h 0.8270±0
Z-Score: -4.8116±0
p-Value: 0.0000014969
Z-Factor: -3.2721
Fitness Defect: 13.4121
Bioactivity Statement: Active
Experimental Conditions
Library:Prestwick
Plate Number and Position:13|F8
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.50 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):22091.5±7532.35178
Plate DMSO Control (-):12139.5±7461.51552
Plate Z-Factor:-5.4357
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DBLink | Rows returned: 9<< Back 1 2
1715118 ethyl-[(2S)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]azanium
1715119 3-[(1S)-2-ethylamino-1-hydroxy-ethyl]phenol
5015281 ethyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]azanium

internal high similarity DBLink | Rows returned: 0

active | Cluster 17728 | Additional Members: 3 | Rows returned: 0
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